In this paper we discuss the state of the art of modelling of liquid crystals at molecular resolution level, showing their evolution from simple uniaxial to more complex mono-site and multi-site models. We then introduce “decorated” models, where specific molecular details, e.g. electrostatic charge distributions are added to allow the computer simulation of more realistic and more specific features and briefly show some of their applications.
C. Zannoni (2007). Computer simulation of liquid crystal materials: from generic to specifically decorated molecular model. New York : American Institute Of Physics [10.1063/1.2827036].
Computer simulation of liquid crystal materials: from generic to specifically decorated molecular model
ZANNONI, CLAUDIO
2007
Abstract
In this paper we discuss the state of the art of modelling of liquid crystals at molecular resolution level, showing their evolution from simple uniaxial to more complex mono-site and multi-site models. We then introduce “decorated” models, where specific molecular details, e.g. electrostatic charge distributions are added to allow the computer simulation of more realistic and more specific features and briefly show some of their applications.File in questo prodotto:
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